REMARK  Name = BDB002938
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.725  -0.045   0.116  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        2.608   0.670  -0.327  0.00  0.00    +0.056 A 
ATOM      3  C   LIG    1        1.309   0.150  -0.115  0.00  0.00    +0.011 A 
ATOM      4  C   LIG    1       -0.003   0.627  -0.419  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1       -0.941  -0.290   0.088  0.00  0.00    +0.061 A 
ATOM      6  N   LIG    1       -0.189  -1.367   0.546  0.00  0.00    -0.342 N 
ATOM      7  C   LIG    1       -0.684  -2.686   0.890  0.00  0.00    +0.149 C 
ATOM      8  C   LIG    1       -2.336  -0.005   0.023  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1       -3.377  -0.822   0.693  0.00  0.00    +0.189 C 
ATOM     10  C   LIG    1       -4.794  -0.531   0.399  0.00  0.00    +0.055 C 
ATOM     11  C   LIG    1       -5.166   0.533  -0.310  0.00  0.00    +0.055 C 
ATOM     12  C   LIG    1       -4.173   1.476  -0.846  0.00  0.00    +0.187 C 
ATOM     13  O   LIG    1       -4.547   2.484  -1.434  0.00  0.00    -0.287 OA
ATOM     14  O   LIG    1       -3.129  -1.700   1.508  0.00  0.00    -0.287 OA
ATOM     15  C   LIG    1       -2.740   1.155  -0.666  0.00  0.00    +0.034 A 
ATOM     16  C   LIG    1       -1.810   2.040  -1.210  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1       -0.447   1.797  -1.069  0.00  0.00    +0.011 A 
ATOM     18  C   LIG    1        1.166  -1.077   0.521  0.00  0.00    +0.050 A 
ATOM     19  C   LIG    1        2.277  -1.806   0.973  0.00  0.00    +0.030 A 
ATOM     20  C   LIG    1        3.550  -1.267   0.760  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   1  22
ATOM     21  C   LIG    1        5.267   1.591  -0.664  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1        5.031   0.345  -0.021  0.00  0.00    -0.495 OA
ENDBRANCH   1  22
TORSDOF 1